Receptor
PDB id Resolution Class Description Source Keywords
2PQW 2 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF L3MBTL1 IN COMPLEX WITH H4K20ME2 (RESID 25), TRIGONAL FORM HOMO SAPIENS L(3)MBT-LIKE PROTEIN STRUCTURAL GENOMICS STRUCTURAL GENOMICONSORTIUM SGC TRANSCRIPTION
Ref.: L3MBTL1 RECOGNITION OF MONO- AND DIMETHYLATED HISTO NAT.STRUCT.MOL.BIOL. V. 14 1229 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACT A:523;
A:524;
A:525;
 Invalid;
Invalid;
Invalid;
 none;
none;
none;
 submit data
59.044 C2 H3 O2 CC(=O...
ARG HIS ARG MLY VAL LEU ARG ASP ASN B:17;
 Valid;
 none;
 submit data
1138.34 n/a O=C([...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2RHI 1.66 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE 3-MBT DOMAIN FROM HUMAN L3MBTL1 IN COMPLEX WITH H1.5K27ME2 AT 1.66 ANGSTROM HOMO SAPIENS BETA BARREL PROTEIN-PEPTIDE COMPLEX DIMETHYL-LYSINE ALTERNATIVE SPLICING CHROMATIN REGULATOR DNA-BINDING METAL-BINDING NUCLEUS REPRESSOR TRANSCRIPTION TRANSCRIPTION REGULATION ZINC ZINC-FINGER TRANSCRIPTION/NUCLEAR PROTEIN COMPLEX
Ref.: STRUCTURAL BASIS FOR LOWER LYSINE METHYLATION STATE-SPECIFIC READOUT BY MBT REPEATS OF L3MBTL1 AND AN ENGINEERED PHD FINGER. MOL.CELL V. 28 677 2007
Members (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 2RHX - MLY C8 H18 N2 O2 CN(C)CCCC[....
2 2RHU - MLY C8 H18 N2 O2 CN(C)CCCC[....
3 3OQ5 - THR SER ARG HIS LYS MLZ LEU MET PHE LYS n/a n/a
4 2PQW - ARG HIS ARG MLY VAL LEU ARG ASP ASN n/a n/a
5 2RHY - MLZ C7 H16 N2 O2 CNCCCC[C@@....
6 2RHI - LYS ALA THR LYS MLY n/a n/a
70% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 2RHX - MLY C8 H18 N2 O2 CN(C)CCCC[....
2 2RHU - MLY C8 H18 N2 O2 CN(C)CCCC[....
3 3OQ5 - THR SER ARG HIS LYS MLZ LEU MET PHE LYS n/a n/a
4 2PQW - ARG HIS ARG MLY VAL LEU ARG ASP ASN n/a n/a
5 2RHY - MLZ C7 H16 N2 O2 CNCCCC[C@@....
6 2RHI - LYS ALA THR LYS MLY n/a n/a
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 2RHX - MLY C8 H18 N2 O2 CN(C)CCCC[....
2 2RHU - MLY C8 H18 N2 O2 CN(C)CCCC[....
3 3OQ5 - THR SER ARG HIS LYS MLZ LEU MET PHE LYS n/a n/a
4 2PQW - ARG HIS ARG MLY VAL LEU ARG ASP ASN n/a n/a
5 2RHY - MLZ C7 H16 N2 O2 CNCCCC[C@@....
6 2RHI - LYS ALA THR LYS MLY n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: ARG HIS ARG MLY VAL LEU ARG ASP ASN; Similar ligands found: 75
No: Ligand ECFP6 Tc MDL keys Tc
1 ARG HIS ARG MLY VAL LEU ARG ASP ASN 1 1
2 ARG HIS ARG MLY VAL LEU ARG ASP TYR 0.813953 0.902778
3 ARG HIS ARG MLZ VAL LEU ARG ASP ASN TYR 0.646259 0.875
4 ALA LYS ARG HIS ARG MLY VAL LEU ARG ASP 0.607143 0.924242
5 ALA LYS PHE ARG HIS ASP 0.559702 0.794118
6 ALA ILE LEU HIS ARG LEU LEU GLN 0.554745 0.791045
7 LYS ILE LEU HIS ARG LEU LEU GLN ASP SER 0.542484 0.814286
8 LYS ILE LEU HIS ARG LEU LEU GLN ASP 0.530201 0.850746
9 GLY HIS LYS ILE LEU HIS ARG LEU LEU GLN 0.527778 0.811594
10 HIS LYS ILE LEU HIS ARG LEU LEU GLN ASP 0.519737 0.838235
11 ARG ARG LEU LEU ARG GLY HIS ASN GLN TYR 0.513158 0.794521
12 ARG ARG GLU VAL HIS THR TYR TYR 0.503311 0.77027
13 ALA VAL TYR ASP GLY ARG GLU HIS THR VAL 0.503185 0.77027
14 GLU GLU ASN LEU LEU ASP PHE VAL ARG PHE 0.5 0.753623
15 HIS LYS ILE LEU HIS ARG LEU LEU GLN GLU 0.49359 0.823529
16 ALA ARG LYS ILE ASP ASN LEU ASP 0.485714 0.776119
17 ALA ARG LYS LEU ASP 0.483607 0.727273
18 PHE GLU ASP LEU ARG VAL LEU SER PHE 0.483221 0.694444
19 ALA LYS ARG HIS ARG LYS VAL LEU ARG ASP 0.482759 0.80303
20 ALA LEU PRO HIS ALA ILE LEU ARG LEU 0.481013 0.816901
21 SER HIS LYS ILE ASP ASN LEU ASP 0.47973 0.771429
22 HIS MET THR GLU VAL VAL ARG HIS CYS 0.477419 0.859155
23 ALA LYS ARG HIS ARG MLZ VAL LEU ARG ASP 0.47651 0.878788
24 PHE GLU ASP LEU ARG VAL SER SER PHE 0.473333 0.694444
25 GLY VAL TYR ASP GLY ARG GLU HIS THR VAL 0.47205 0.77027
26 VAL VAL SER HIS PHE ASN ASP 0.471429 0.690141
27 ILE LEU GLY LYS PHE LEU HIS ARG LEU 0.467532 0.8
28 SER ARG ASP HIS SER ARG THR PRO MET 0.463855 0.853333
29 ALA ARG THR MLY GLN 0.461538 0.811594
30 VAL LEU HIS ASP ASP LEU LEU GLU ALA 0.458647 0.727273
31 ARG ILE ILE PRO ARG HIS LEU GLN LEU 0.45679 0.84507
32 ARG ARG ARG TRP HIS ARG TRP ARG LEU 0.455782 0.785714
33 SER HIS VAL ALA VAL GLU ASN ALA LEU 0.452055 0.73913
34 ARG ARG LYS TRP ARG ARG TRP HIS LEU 0.45098 0.8
35 HIS MET THR GLU VAL VAL ARG ARG CYS 0.448052 0.871429
36 ALA ASN SER ARG TRP GLN ASP THR ARG LEU 0.447853 0.794521
37 GLY ALA ARG ALA HIS SER SER 0.446043 0.826087
38 GLU LYS VAL HIS VAL GLN 0.446043 0.757576
39 THR SER ARG HIS LYS ALY LEU MET ALA 0.443038 0.873239
40 LEU ARG ASN GLN SER VAL PHE ASN PHE 0.44 0.722222
41 ARG ARG LYS TRP CIR ARG TRP HIS LEU 0.43949 0.788732
42 ASP ARG VAL TYR ILE HIS PRO PHE 0.435897 0.767123
43 ALA SER ASN GLU HIS MET GLU THR MET 0.435374 0.760563
44 ARG ARG ILE TYR ASP LEU ILE GLU LEU 0.435065 0.708333
45 ACE SER HIS VAL ALA VAL GLU ASN ALA LEU 0.432432 0.753623
46 SER ARG LYS ILE ASP ASN LEU ASP 0.432432 0.742857
47 VAL LEU ARG ASP ASP LEU LEU GLU ALA 0.431818 0.727273
48 HIS LYS LEU VAL GLN LEU LEU THR THR THR 0.431507 0.782609
49 ILE ARG LYS ILE LEU PHE LEU ASP GLY ILE 0.43125 0.73913
50 VAL GLU GLU ASP HIS VAL ALA HIS ALA 0.430556 0.701493
51 GLU LEU ASN ARG LYS MET ILE TYR MET 0.424242 0.767123
52 PCA PHE ARG HIS ASP SER GLY TYR GLU VAL 0.424051 0.712329
53 HIS VAL ALA VAL GLU ASN ALA LEU 0.423611 0.727273
54 ALA ARG THR MLY GLN THR ALA ARG LYS TYR 0.423358 0.811594
55 TYR HIS SEP VAL VAL ARG TYR ALA 0.42236 0.679012
56 ALA ARG THR GLU LEU TYR ARG SER LEU 0.421053 0.712329
57 LEU PRO PHE GLU LEU ARG GLY HIS LEU VAL 0.41954 0.819444
58 GLN PHE LYS ASP ASN VAL ILE LEU LEU 0.419355 0.691176
59 ILE LEU ALA LYS PHE LEU HIS ARG LEU 0.41875 0.768116
60 PHE GLU ASP LEU ARG LEU LEU SER PHE 0.416107 0.694444
61 ALA ARG THR MLY GLN THR ALA ARG MLY SER 0.414815 0.797101
62 LYS GLY GLY ALA ALY ARG HIS ARG 0.414013 0.850746
63 PTR LEU ARG VAL ALA 0.412587 0.644737
64 ALA ARG THR MLY GLN THR ALA ARG LYS 0.410072 0.797101
65 PCA PHE ARG HIS ASP SER 0.409091 0.742857
66 ILE LEU MET GLU HIS ILE HIS LYS LEU 0.409091 0.782609
67 ALA HIS HIS 0.405172 0.61194
68 TYR GLU LEU ASP GLU LYS PHE ASP ARG LEU 0.405063 0.712329
69 ARG HIS LYS ALY LEU MET PHE LYS 0.404908 0.826087
70 LYS ARG TRP ILE ILE LEU GLY LEU ASN LYS 0.404624 0.816901
71 LEU TYR LEU VAL CYS GLY GLU ARG VAL 0.403727 0.671233
72 ARG LEU GLN ARG ARG ARG GLU THR GLN VAL 0.401408 0.710145
73 ALA ASN SER ARG VAL GLN ASP SER ILE ILE 0.401361 0.714286
74 ALA LEU ASP LYS TRP ASP 0.4 0.724638
75 PRO VAL LYS ARG ARG LEU ASP LEU GLU 0.4 0.80597
Similar Ligands (3D)
Ligand no: 1; Ligand: ARG HIS ARG MLY VAL LEU ARG ASP ASN; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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